4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile

C17H23N3O — CID 56916954

IUPAC4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCOCC3)CC2)n1
InChIInChI=1S/C17H23N3O/c1-13-11-14(2)19-16(15(13)12-18)20-7-3-17(4-8-20)5-9-21-10-6-17/h11H,3-10H2,1-2H3
InChIKeyRXRYIVONOIBEKU-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.97
Rot. Bonds1

About 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile

4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile (PubChem CID 56916954) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
PubChem CID56916954
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(N2CCC3(CCOCC3)CC2)n1
InChIInChI=1S/C17H23N3O/c1-13-11-14(2)19-16(15(13)12-18)20-7-3-17(4-8-20)5-9-21-10-6-17/h11H,3-10H2,1-2H3
InChIKeyRXRYIVONOIBEKU-UHFFFAOYSA-N
XLogP2.97
TPSA49.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075
4,6-dimethyl-2-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 166601275
2-[(4R,5S)-4,5-dihydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 164695336
4,6-dimethyl-2-(4-propylpiperazin-1-yl)pyridine-3-carbonitrile
CID 60658707
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-(oxan-4-yl)piperidine-4-carboxamide
CID 171992627
2-(4-cyclopropylsulfonylpiperazin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 154883013
4,6-dimethyl-2-(9-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)pyridine-3-carbonitrile
CID 138379468
2-(2,6-dimethylmorpholin-4-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 60658562
2-[4-(2-hydroxyphenyl)piperazin-1-yl]-4,6-dimethylpyridine-3-carbonitrile
CID 30633436
5-amino-2,4-dimethyl-7-morpholin-4-yl-1,6-naphthyridine-8-carbonitrile
CID 102145611
2-(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 81107513
4,6-dimethyl-2-(5-oxo-1,4-diazepan-1-yl)pyridine-3-carbonitrile
CID 60706426

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
The IUPAC name of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile (CID 56916954) is 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
The canonical SMILES for 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(N2CCC3(CCOCC3)CC2)n1.
What is the InChIKey of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
The InChIKey is RXRYIVONOIBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-11-14(2)19-16(15(13)12-18)20-7-3-17(4-8-20)5-9-21-10-6-17/h11H,3-10H2,1-2H3.
What are the key properties of 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile?
4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile has a molecular weight of 285.39 g/mol, XLogP of 2.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-2-(3-oxa-9-azaspiro[5.5]undecan-9-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 56916954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).